1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine

C16H16BrNO2 — CID 50885405

IUPAC1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
SMILESCCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-3-20-16-14(17)9-12(10-15(16)19-2)11-18-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b18-11+
InChIKeyDMTNFEGHASBQDX-WOJGMQOQSA-N
MW334.21 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine

1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine (PubChem CID 50885405) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
PubChem CID50885405
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
SMILESCCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-3-20-16-14(17)9-12(10-15(16)19-2)11-18-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b18-11+
InChIKeyDMTNFEGHASBQDX-WOJGMQOQSA-N
XLogP4.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126214053

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine (CID 50885405) is 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine is CCOc1c(Br)cc(/C=N/c2ccccc2)cc1OC.
What is the InChIKey of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine?
The InChIKey is DMTNFEGHASBQDX-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-20-16-14(17)9-12(10-15(16)19-2)11-18-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b18-11+.
What are the key properties of 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine?
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine has a molecular weight of 334.21 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 50885405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).